[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H25N3O6S/c1-2-9-19-18(24)20-16(22)13-27-17(23)14-7-6-8-15(12-14)28(25,26)21-10-4-3-5-11-21/h6-8,12H,2-5,9-11,13H2,1H3,(H2,19,20,22,24)